(3S)-2-fluoro-3-phenylselanyloxane

C11H13FOSe — CID 134893237

IUPAC(3S)-2-fluoro-3-phenylselanyloxane
SMILESFC1OCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C11H13FOSe/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11?/m0/s1
InChIKeyKJWBBKYABKBBFP-VUWPPUDQSA-N
MW259.18 g/mol
LogP1.91
Rot. Bonds2

About (3S)-2-fluoro-3-phenylselanyloxane

(3S)-2-fluoro-3-phenylselanyloxane (PubChem CID 134893237) has the molecular formula C11H13FOSe and a molecular weight of 259.18 g/mol. Its IUPAC name is (3S)-2-fluoro-3-phenylselanyloxane.

Molecular Properties

Compound Name(3S)-2-fluoro-3-phenylselanyloxane
PubChem CID134893237
Molecular FormulaC11H13FOSe
Molecular Weight259.18 g/mol
Exact Mass260.01
IUPAC Name(3S)-2-fluoro-3-phenylselanyloxane
SMILESFC1OCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C11H13FOSe/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11?/m0/s1
InChIKeyKJWBBKYABKBBFP-VUWPPUDQSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-fluoro-3-phenylselanyloxane?
The IUPAC name of (3S)-2-fluoro-3-phenylselanyloxane (CID 134893237) is (3S)-2-fluoro-3-phenylselanyloxane.
What is the SMILES notation for (3S)-2-fluoro-3-phenylselanyloxane?
The canonical SMILES for (3S)-2-fluoro-3-phenylselanyloxane is FC1OCCC[C@@H]1[Se]c1ccccc1.
What is the InChIKey of (3S)-2-fluoro-3-phenylselanyloxane?
The InChIKey is KJWBBKYABKBBFP-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H13FOSe/c12-11-10(7-4-8-13-11)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11?/m0/s1.
What are the key properties of (3S)-2-fluoro-3-phenylselanyloxane?
(3S)-2-fluoro-3-phenylselanyloxane has a molecular weight of 259.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-fluoro-3-phenylselanyloxane is sourced from PubChem (CID 134893237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).